#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m8b n ALA 2 N 0.00 2.23 -3.61 -1.18 0.00 -1.26 -5.08 120.51 111.61 1m8b n ALA 2 Ca 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 53.44 50.18 1m8b n ALA 2 Cb 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1m8b n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8b s ALA 3 N -2.42 -2.00 1.07 0.00 0.00 -1.26 -5.17 121.76 111.98 1m8b s ALA 3 Ca 0.35 1.72 -0.17 0.00 0.00 0.00 0.00 51.96 53.86 1m8b s ALA 3 Cb 0.38 -1.14 0.24 0.00 0.00 0.00 0.00 23.12 22.60 1m8b s ALA 3 CO -0.05 -0.26 1.22 0.54 0.00 0.00 0.00 175.76 177.22 1m8b s VAL 4 N -0.57 1.82 -0.14 0.00 0.11 -1.26 -5.10 120.40 115.25 1m8b s VAL 4 Ca 0.02 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 1m8b s VAL 4 Cb -0.02 -2.76 0.10 0.00 -1.53 0.00 0.00 36.38 32.17 1m8b s VAL 4 CO -0.04 0.00 0.88 -0.55 -3.33 0.00 0.00 175.10 172.06 1m8b s SER 5 N -4.43 -0.50 -0.04 3.54 0.15 -1.26 -5.02 113.70 106.15 1m8b s SER 5 Ca 0.72 0.62 -0.06 0.00 0.70 0.00 0.00 55.95 57.93 1m8b s SER 5 Cb -0.07 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1m8b s SER 5 CO 0.54 -0.40 0.20 -0.69 1.20 0.00 0.00 173.24 174.09 1m8b s VAL 6 N -0.90 5.41 -0.25 4.45 1.01 -1.26 -5.06 120.40 123.79 1m8b s VAL 6 Ca -0.04 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 1m8b s VAL 6 Cb -0.01 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 1m8b s VAL 6 CO 0.04 0.44 0.83 -0.62 0.00 0.00 0.00 175.10 175.79 1m8b s ASP 7 N -1.54 6.81 -0.02 3.32 2.15 -1.26 -4.84 116.67 121.29 1m8b s ASP 7 Ca 0.23 0.98 0.02 0.00 0.43 0.00 0.00 52.55 54.21 1m8b s ASP 7 Cb -0.13 -2.43 0.04 0.00 -0.30 0.00 0.00 42.92 40.10 1m8b s ASP 7 CO 0.13 -0.54 0.82 0.00 -0.17 0.00 0.00 175.17 175.41 1m8b n SER 9 N -0.32 4.49 -0.22 0.00 3.41 -1.26 -3.45 113.62 116.28 1m8b n SER 9 Ca 0.02 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 1m8b n SER 9 Cb 0.49 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1m8b n SER 9 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1m8b n GLU 10 N -0.20 0.00 -3.52 4.33 -0.00 -1.26 -5.11 120.64 114.88 1m8b n GLU 10 Ca 0.33 -0.64 -0.19 0.00 -0.00 0.00 0.00 57.16 56.66 1m8b n GLU 10 Cb 0.96 -0.45 -0.01 0.00 -0.00 0.00 0.00 31.44 31.94 1m8b n GLU 10 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1m8b s TYR 11 N 0.00 3.05 0.46 -1.84 1.51 -1.22 -4.17 117.35 115.14 1m8b s TYR 11 Ca 0.00 -0.25 -0.21 0.00 -1.01 0.00 0.00 57.07 55.60 1m8b s TYR 11 Cb 0.00 -1.97 -0.09 0.00 -0.11 0.00 0.00 41.96 39.79 1m8b s TYR 11 CO 0.00 0.01 1.04 -1.25 -1.11 0.00 0.00 175.55 174.24 1m8b s PRO 12 N -4.14 3.89 0.05 -1.71 0.04 -1.26 -5.08 135.00 126.79 1m8b s PRO 12 Ca 0.45 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.90 1m8b s PRO 12 Cb -0.09 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1m8b s PRO 12 CO 0.30 -0.36 0.10 0.15 0.04 0.00 0.00 177.00 177.24 1m8b s LYS 13 N -3.05 3.05 -0.74 4.56 1.02 -1.26 -5.05 119.74 118.27 1m8b s LYS 13 Ca 0.65 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 56.10 1m8b s LYS 13 Cb -0.18 -2.83 0.24 0.00 -0.52 0.00 0.00 37.83 34.54 1m8b s LYS 13 CO 0.22 0.60 0.80 -0.25 -0.92 0.00 0.00 175.35 175.80 1m8b n ASP 14 N 0.67 4.01 0.00 2.83 9.92 -1.26 -4.53 116.55 128.19 1m8b n ASP 14 Ca -0.09 -3.36 0.00 0.00 -0.53 0.00 0.00 54.79 50.80 1m8b n ASP 14 Cb 0.52 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 1m8b n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m8b n ALA 15 N 1.29 0.00 -1.13 2.24 0.00 -1.26 -5.16 120.51 116.49 1m8b n ALA 15 Ca 0.27 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1m8b n ALA 15 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 1m8b n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m8b s THR 17 N -1.28 2.97 -0.74 0.00 -4.23 -1.26 -5.01 115.64 106.09 1m8b s THR 17 Ca 0.00 -1.26 0.23 0.00 -1.18 0.00 0.00 61.69 59.48 1m8b s THR 17 Cb 0.00 -2.31 -0.07 0.00 1.34 0.00 0.00 72.50 71.46 1m8b s THR 17 CO 0.00 0.23 1.15 0.18 -0.54 0.00 0.00 174.62 175.65 1m8b n LEU 18 N 1.19 0.63 -4.79 4.79 4.32 -1.26 -4.92 117.00 116.96 1m8b n LEU 18 Ca -0.15 -0.02 -0.33 0.00 -0.02 0.00 0.00 56.01 55.49 1m8b n LEU 18 Cb 0.52 -0.14 0.02 0.00 -1.62 0.00 0.00 43.42 42.20 1m8b n LEU 18 CO 0.29 0.07 0.73 -1.83 -1.22 0.00 0.00 177.39 175.42 1m8b s GLU 19 N -3.13 3.21 -0.36 3.23 1.03 -1.26 -5.02 118.70 116.40 1m8b s GLU 19 Ca 0.06 1.31 -0.05 0.00 0.03 0.00 0.00 54.97 56.32 1m8b s GLU 19 Cb 0.15 -2.01 0.06 0.00 -0.80 0.00 0.00 34.13 31.53 1m8b s GLU 19 CO 0.77 -0.91 0.13 -0.47 -1.33 0.00 0.00 175.26 173.45 1m8b s TYR 20 N -2.31 3.33 -0.30 4.83 6.14 -1.26 -4.74 117.35 123.04 1m8b s TYR 20 Ca 0.66 -1.71 -0.02 0.00 0.64 0.00 0.00 57.07 56.63 1m8b s TYR 20 Cb -0.18 -2.55 0.12 0.00 0.42 0.00 0.00 41.96 39.77 1m8b s TYR 20 CO 0.36 -0.81 0.20 -0.98 0.64 0.00 0.00 175.55 174.96 1m8b s ARG 21 N 1.33 0.27 -0.20 4.97 1.70 0.62 -5.03 118.95 122.61 1m8b s ARG 21 Ca 0.00 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.51 1m8b s ARG 21 Cb -0.21 -0.98 -0.01 0.00 -0.57 0.00 0.00 34.95 33.18 1m8b s ARG 21 CO 0.01 -1.04 1.30 -1.25 -1.08 0.00 0.00 175.30 173.23 1m8b s PRO 22 N 2.10 4.12 0.06 3.89 0.04 -0.99 -3.07 135.00 141.14 1m8b s PRO 22 Ca 0.10 1.56 0.09 0.00 0.04 0.00 0.00 61.00 62.79 1m8b s PRO 22 Cb -0.16 -3.81 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 1m8b s PRO 22 CO -0.32 -0.85 -0.26 -0.48 0.04 0.00 0.00 177.00 175.13 1m8b s LEU 23 N 3.84 2.20 -0.19 -3.56 2.34 -0.14 0.12 118.68 123.28 1m8b s LEU 23 Ca 0.56 -0.61 -0.08 0.00 0.06 0.00 0.00 54.13 54.06 1m8b s LEU 23 Cb -0.21 -1.24 -0.04 0.00 -0.56 0.00 0.00 46.19 44.14 1m8b s LEU 23 CO 0.18 0.23 0.07 0.00 -1.06 0.00 0.00 176.35 175.77 1m8b n GLY 25 N 3.59 -0.45 0.20 0.00 0.00 0.11 -1.11 105.19 107.54 1m8b n GLY 25 Ca -0.16 -1.87 0.07 0.00 0.00 0.00 0.00 46.02 44.06 1m8b n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1m8b h SER 26 N -1.19 0.00 -0.31 1.61 0.87 -0.52 -2.06 113.55 111.94 1m8b h SER 26 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1m8b h SER 26 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1m8b h SER 26 CO 0.33 0.31 0.00 -0.90 -0.53 0.00 0.00 176.83 176.04 1m8b n ASP 27 N -3.50 2.58 -3.15 6.23 5.75 -1.26 -4.86 116.55 118.33 1m8b n ASP 27 Ca -0.00 -2.22 -0.20 0.00 -0.01 0.00 0.00 54.79 52.36 1m8b n ASP 27 Cb 0.47 -0.41 0.07 0.00 -1.03 0.00 0.00 41.12 40.21 1m8b n ASP 27 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1m8b n ASN 28 N 0.41 -5.09 -4.39 -1.12 5.15 -0.77 -4.99 115.26 104.46 1m8b n ASN 28 Ca 0.12 -0.48 -0.35 0.00 -0.60 0.00 0.00 54.58 53.27 1m8b n ASN 28 Cb 0.50 -4.42 -0.13 0.00 -0.53 0.00 0.00 39.78 35.20 1m8b n ASN 28 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1m8b s LYS 29 N -5.95 3.53 -0.18 1.20 1.02 -1.25 -4.83 119.74 113.27 1m8b s LYS 29 Ca 0.41 -0.55 -0.20 0.00 0.02 0.00 0.00 55.97 55.66 1m8b s LYS 29 Cb -0.18 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1m8b s LYS 29 CO 0.63 -0.12 0.57 0.99 -0.92 0.00 0.00 175.35 176.50 1m8b s THR 30 N 1.33 5.08 -0.12 2.17 2.01 -1.26 0.07 115.64 124.93 1m8b s THR 30 Ca 0.04 1.08 0.02 0.00 0.31 0.00 0.00 61.69 63.14 1m8b s THR 30 Cb -0.15 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1m8b s THR 30 CO 0.00 0.17 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.61 1m8b s TYR 31 N 1.59 2.69 0.27 4.92 2.02 0.81 -4.92 117.35 124.73 1m8b s TYR 31 Ca 0.27 -0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 56.09 1m8b s TYR 31 Cb -0.16 -1.79 0.58 0.00 -0.40 0.00 0.00 41.96 40.20 1m8b s TYR 31 CO 0.10 -0.33 1.70 0.78 -1.57 0.00 0.00 175.55 176.23 1m8b h GLY 32 N 6.77 1.29 -2.47 0.71 0.00 -1.87 -0.35 103.07 107.15 1m8b h GLY 32 Ca -0.23 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 46.78 1m8b h GLY 32 CO 0.52 -0.20 -0.48 0.54 0.00 0.00 0.00 176.54 176.92 1m8b s ASN 33 N -5.24 0.12 0.20 0.19 2.20 -1.18 -0.28 114.94 110.96 1m8b s ASN 33 Ca -0.12 -1.27 0.17 0.00 -0.94 0.00 0.00 52.86 50.69 1m8b s ASN 33 Cb 0.23 0.44 0.80 0.00 -2.00 0.00 0.00 41.25 40.73 1m8b s ASN 33 CO 0.77 -0.93 1.51 1.17 -2.94 0.00 0.00 177.10 176.67 1m8b n LYS 34 N -0.31 0.11 0.01 3.55 4.81 -1.26 -1.76 118.16 123.30 1m8b n LYS 34 Ca 0.01 0.50 -0.13 0.00 -0.87 0.00 0.00 58.31 57.83 1m8b n LYS 34 Cb 0.65 -1.78 -0.10 0.00 0.02 0.00 0.00 35.03 33.82 1m8b n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1m8b h ASN 36 N -0.67 1.01 0.14 0.00 2.35 -1.72 0.10 115.58 116.78 1m8b h ASN 36 Ca -0.01 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1m8b h ASN 36 Cb 0.57 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1m8b h ASN 36 CO 0.01 0.96 -0.07 0.15 -1.65 0.00 0.00 177.43 176.84 1m8b h PHE 37 N 1.00 -0.17 -0.87 1.19 3.57 -1.38 -1.82 116.94 118.46 1m8b h PHE 37 Ca 0.22 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.75 1m8b h PHE 37 Cb 0.33 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1m8b h PHE 37 CO 0.03 0.05 0.55 0.00 -2.23 0.00 0.00 178.31 176.71 1m8b h ASN 39 N 1.06 0.49 0.82 0.00 -0.73 -0.54 1.02 115.58 117.71 1m8b h ASN 39 Ca 0.35 0.02 -0.24 0.00 1.87 0.00 0.00 56.30 58.30 1m8b h ASN 39 Cb 0.04 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 1m8b h ASN 39 CO -0.13 0.28 -1.17 0.00 -0.37 0.00 0.00 177.43 176.04 1m8b h ALA 40 N 1.64 0.34 0.53 1.57 0.00 0.02 -2.52 119.26 120.83 1m8b h ALA 40 Ca 0.34 -0.98 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 1m8b h ALA 40 Cb 0.59 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1m8b h ALA 40 CO -0.12 1.22 -0.25 0.28 0.00 0.00 0.00 179.25 180.38 1m8b h VAL 41 N 0.02 0.01 -0.55 0.00 2.07 0.26 -1.21 116.25 116.85 1m8b h VAL 41 Ca -0.09 -0.49 0.12 0.00 0.82 0.00 0.00 66.70 67.07 1m8b h VAL 41 Cb 1.86 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1m8b h VAL 41 CO 0.14 0.00 0.38 1.62 0.02 0.00 0.00 177.57 179.73 1m8b h VAL 42 N -1.19 0.82 -0.46 2.57 3.04 0.80 1.57 116.25 123.40 1m8b h VAL 42 Ca -0.07 -0.07 -0.07 0.00 -1.01 0.00 0.00 66.70 65.48 1m8b h VAL 42 Cb 0.54 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 30.40 1m8b h VAL 42 CO 0.12 0.04 0.01 -0.33 -1.01 0.00 0.00 177.57 176.40 1m8b h GLU 43 N 0.21 0.80 -1.86 4.17 5.08 -1.38 -2.94 114.58 118.66 1m8b h GLU 43 Ca 0.26 -0.25 -0.40 0.00 -1.00 0.00 0.00 59.36 57.97 1m8b h GLU 43 Cb 0.75 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.77 1m8b h GLU 43 CO -0.05 0.85 0.30 0.45 -1.00 0.00 0.00 179.01 179.57 1m8b n SER 44 N -4.38 6.31 -1.75 1.42 2.88 0.18 -4.71 113.62 113.56 1m8b n SER 44 Ca 0.00 -3.07 -0.09 0.00 -1.33 0.00 0.00 58.87 54.38 1m8b n SER 44 Cb 0.30 -1.20 -0.02 0.00 -0.75 0.00 0.00 64.21 62.53 1m8b n SER 44 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1m8b n ASN 45 N 0.91 -2.72 -1.65 -3.46 2.85 -1.11 0.19 115.26 110.27 1m8b n ASN 45 Ca 0.42 0.25 -0.15 0.00 -0.11 0.00 0.00 54.58 54.99 1m8b n ASN 45 Cb 0.60 -2.54 -0.01 0.00 1.24 0.00 0.00 39.78 39.07 1m8b n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m8b n GLY 46 N -0.40 -0.17 0.11 8.20 0.00 0.51 -4.89 105.19 108.56 1m8b n GLY 46 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1m8b n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m8b h THR 47 N 0.00 0.79 -3.65 2.61 1.03 0.19 -3.46 112.91 110.43 1m8b h THR 47 Ca -0.35 -2.26 -0.52 0.00 -0.01 0.00 0.00 66.41 63.28 1m8b h THR 47 Cb 1.25 2.30 0.03 0.00 -1.07 0.00 0.00 68.15 70.66 1m8b h THR 47 CO 0.41 0.45 0.58 -0.22 -0.01 0.00 0.00 175.52 176.73 1m8b s LEU 48 N -6.19 4.46 0.29 0.00 2.96 -1.26 -5.03 118.68 113.91 1m8b s LEU 48 Ca 0.01 2.40 0.11 0.00 -0.22 0.00 0.00 54.13 56.43 1m8b s LEU 48 Cb 0.08 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1m8b s LEU 48 CO 0.78 -0.39 -0.13 0.42 -1.32 0.00 0.00 176.35 175.72 1m8b s THR 49 N -0.59 2.72 -0.23 3.68 -4.23 -1.26 -4.83 115.64 110.90 1m8b s THR 49 Ca 0.50 -2.24 -0.22 0.00 -1.18 0.00 0.00 61.69 58.56 1m8b s THR 49 Cb -0.35 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 1m8b s THR 49 CO 0.42 -0.37 0.70 -0.22 -0.54 0.00 0.00 174.62 174.62 1m8b s LEU 50 N -3.57 4.10 -0.04 4.79 2.96 -1.26 0.24 118.68 125.89 1m8b s LEU 50 Ca 0.31 0.86 -0.22 0.00 -0.22 0.00 0.00 54.13 54.86 1m8b s LEU 50 Cb -0.04 -2.98 -0.25 0.00 0.50 0.00 0.00 46.19 43.41 1m8b s LEU 50 CO 0.17 -0.39 1.01 -1.28 -1.32 0.00 0.00 176.35 174.54 1m8b h SER 51 N 7.69 0.38 -5.90 3.68 0.87 -1.28 -3.45 113.55 115.55 1m8b h SER 51 Ca -0.27 -0.83 0.37 0.00 -1.23 0.00 0.00 61.79 59.83 1m8b h SER 51 Cb 1.12 -0.12 -0.13 0.00 -0.44 0.00 0.00 62.40 62.83 1m8b h SER 51 CO 0.80 1.16 0.92 -1.38 -0.53 0.00 0.00 176.83 177.81 1m8b s HIS 52 N -2.94 -0.02 0.50 2.24 0.00 -0.94 -5.03 115.29 109.10 1m8b s HIS 52 Ca -0.15 -0.03 -0.02 0.00 -3.00 0.00 0.00 55.06 51.87 1m8b s HIS 52 Cb 0.02 0.52 0.00 0.00 -4.00 0.00 0.00 32.58 29.12 1m8b s HIS 52 CO 0.79 -0.12 0.75 -0.06 -1.00 0.00 0.00 174.74 175.09 1m8b s PHE 53 N -2.19 3.23 0.15 0.38 0.40 -1.26 -1.54 117.98 117.15 1m8b s PHE 53 Ca 0.15 0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 1m8b s PHE 53 Cb 0.07 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 41.14 1m8b s PHE 53 CO -0.06 -0.51 0.00 0.41 0.70 0.00 0.00 175.22 175.76 1m8b n GLY 54 N -2.25 -3.21 3.34 4.36 0.00 0.32 -4.74 105.19 103.03 1m8b n GLY 54 Ca 0.02 -1.15 -0.46 0.00 0.00 0.00 0.00 46.02 44.44 1m8b n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1m8b n LYS 55 N -1.58 0.00 0.00 1.61 4.81 -0.41 -3.92 118.16 118.66 1m8b n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1m8b n LYS 55 Cb 0.09 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.15 1m8b n LYS 55 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57